USER  MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=16
USER  MOD reduce.3.24.130724 removed 431 hydrogens (0 hets)
USER  MOD -----------------------------------------------------------------
USER  MOD scores for adjustable sidechains, with "set" totals for H,N and Q
USER  MOD "o" means original, "f" means flipped, "180deg" is methyl default
USER  MOD "!" flags a clash with an overlap of 0.40A or greater
USER  MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip
USER  MOD Set 1.1: A   7 CYS SG  :   rot  156:sc=   -1.03!
USER  MOD Set 1.2: A  10 CYS SG  :   rot  -54:sc=   -6.59!
USER  MOD Set 1.3: A  28 CYS SG  :   rot -127:sc=  -0.362
USER  MOD Set 1.4: A  31 CYS SG  :   rot  149:sc=   -3.26!
USER  MOD Single : A   5 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A   8 SER OG  :   rot  180:sc=       0
USER  MOD Single : A   9 ASN     :      amide:sc=   -3.43  K(o=-3.4,f=-4.1!)
USER  MOD Single : A  11 GLN     :      amide:sc=  -0.666  K(o=-0.67,f=0)
USER  MOD Single : A  12 THR OG1 :   rot -109:sc=   0.255
USER  MOD Single : A  13 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  14 THR OG1 :   rot   34:sc=  0.0681
USER  MOD Single : A  15 THR OG1 :   rot -121:sc=     1.8
USER  MOD Single : A  16 THR OG1 :   rot  180:sc=  0.0186
USER  MOD Single : A  21 SER OG  :   rot  180:sc=    -0.1
USER  MOD Single : A  23 MET CE  :methyl  180:sc=       0   (180deg=0)
USER  MOD Single : A  29 ASN     :      amide:sc=  -0.998  K(o=-1,f=-4.1!)
USER  MOD Single : A  34 TYR OH  :   rot  165:sc=   -0.89
USER  MOD Single : A  35 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  36 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  38 HIS     :     no HD1:sc=  -0.561  K(o=-0.56,f=-0.023)
USER  MOD Single : A  39 GLN     :      amide:sc=       0  X(o=0,f=-0.052)
USER  MOD Single : A  41 ASN     :      amide:sc= -0.0232  K(o=-0.023,f=-1.2!)
USER  MOD Single : A  45 THR OG1 :   rot  180:sc=0.000406
USER  MOD Single : A  46 MET CE  :methyl  180:sc=       0   (180deg=0)
USER  MOD Single : A  48 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  52 GLN     :      amide:sc=    -1.2  K(o=-1.2,f=-1.9!)
USER  MOD Single : A  53 THR OG1 :   rot  180:sc=  -0.293
USER  MOD Single : A  55 ASN     :      amide:sc= -0.0285  X(o=-0.028,f=0)
USER  MOD Single : A  57 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD -----------------------------------------------------------------
ATOM    561  N   ALA A   3      -6.589   7.654  14.232  1.00  0.00           N
ATOM    562  CA  ALA A   3      -7.096   6.282  14.541  1.00  0.00           C
ATOM    563  C   ALA A   3      -8.592   6.366  14.870  1.00  0.00           C
ATOM    564  O   ALA A   3      -8.996   7.048  15.793  1.00  0.00           O
ATOM    565  CB  ALA A   3      -6.334   5.714  15.745  1.00  0.00           C
ATOM      0  HA  ALA A   3      -6.945   5.629  13.681  1.00  0.00           H   new
ATOM      0  HB1 ALA A   3      -6.704   4.714  15.970  1.00  0.00           H   new
ATOM      0  HB2 ALA A   3      -5.270   5.664  15.512  1.00  0.00           H   new
ATOM      0  HB3 ALA A   3      -6.486   6.360  16.610  1.00  0.00           H   new
ATOM    571  N   GLY A   4      -9.413   5.689  14.111  1.00  0.00           N
ATOM    572  CA  GLY A   4     -10.887   5.738  14.358  1.00  0.00           C
ATOM    573  C   GLY A   4     -11.612   6.038  13.039  1.00  0.00           C
ATOM    574  O   GLY A   4     -12.755   5.667  12.852  1.00  0.00           O
ATOM      0  H   GLY A   4      -9.126   5.102  13.328  1.00  0.00           H   new
ATOM      0  HA2 GLY A   4     -11.231   4.788  14.767  1.00  0.00           H   new
ATOM      0  HA3 GLY A   4     -11.118   6.506  15.096  1.00  0.00           H   new
ATOM    578  N   THR A   5     -10.952   6.704  12.119  1.00  0.00           N
ATOM    579  CA  THR A   5     -11.591   7.018  10.807  1.00  0.00           C
ATOM    580  C   THR A   5     -11.990   5.715  10.113  1.00  0.00           C
ATOM    581  O   THR A   5     -11.212   5.121   9.400  1.00  0.00           O
ATOM    582  CB  THR A   5     -10.608   7.778   9.926  1.00  0.00           C
ATOM    583  OG1 THR A   5     -10.253   9.001  10.560  1.00  0.00           O
ATOM    584  CG2 THR A   5     -11.246   8.069   8.565  1.00  0.00           C
ATOM      0  H   THR A   5      -9.996   7.043  12.224  1.00  0.00           H   new
ATOM      0  HA  THR A   5     -12.476   7.632  10.974  1.00  0.00           H   new
ATOM      0  HB  THR A   5      -9.714   7.172   9.777  1.00  0.00           H   new
ATOM      0  HG1 THR A   5      -9.619   9.490   9.995  1.00  0.00           H   new
ATOM      0 HG21 THR A   5     -10.538   8.613   7.940  1.00  0.00           H   new
ATOM      0 HG22 THR A   5     -11.512   7.130   8.080  1.00  0.00           H   new
ATOM      0 HG23 THR A   5     -12.143   8.672   8.705  1.00  0.00           H   new
ATOM    592  N   VAL A   6     -13.190   5.259  10.323  1.00  0.00           N
ATOM    593  CA  VAL A   6     -13.624   3.994   9.668  1.00  0.00           C
ATOM    594  C   VAL A   6     -14.111   4.328   8.254  1.00  0.00           C
ATOM    595  O   VAL A   6     -15.118   4.985   8.075  1.00  0.00           O
ATOM    596  CB  VAL A   6     -14.740   3.330  10.491  1.00  0.00           C
ATOM    597  CG1 VAL A   6     -14.243   3.091  11.921  1.00  0.00           C
ATOM    598  CG2 VAL A   6     -15.977   4.234  10.540  1.00  0.00           C
ATOM      0  H   VAL A   6     -13.889   5.705  10.918  1.00  0.00           H   new
ATOM      0  HA  VAL A   6     -12.793   3.292   9.610  1.00  0.00           H   new
ATOM      0  HB  VAL A   6     -15.006   2.383  10.021  1.00  0.00           H   new
ATOM      0 HG11 VAL A   6     -15.033   2.620  12.507  1.00  0.00           H   new
ATOM      0 HG12 VAL A   6     -13.370   2.439  11.899  1.00  0.00           H   new
ATOM      0 HG13 VAL A   6     -13.973   4.044  12.376  1.00  0.00           H   new
ATOM      0 HG21 VAL A   6     -16.758   3.750  11.126  1.00  0.00           H   new
ATOM      0 HG22 VAL A   6     -15.714   5.186  11.001  1.00  0.00           H   new
ATOM      0 HG23 VAL A   6     -16.340   4.410   9.527  1.00  0.00           H   new
ATOM    608  N   CYS A   7     -13.381   3.909   7.250  1.00  0.00           N
ATOM    609  CA  CYS A   7     -13.779   4.222   5.842  1.00  0.00           C
ATOM    610  C   CYS A   7     -15.263   3.899   5.628  1.00  0.00           C
ATOM    611  O   CYS A   7     -15.663   2.751   5.601  1.00  0.00           O
ATOM    612  CB  CYS A   7     -12.929   3.395   4.882  1.00  0.00           C
ATOM    613  SG  CYS A   7     -13.445   3.710   3.178  1.00  0.00           S
ATOM      0  H   CYS A   7     -12.525   3.363   7.345  1.00  0.00           H   new
ATOM      0  HA  CYS A   7     -13.620   5.283   5.652  1.00  0.00           H   new
ATOM      0  HB2 CYS A   7     -11.876   3.647   5.005  1.00  0.00           H   new
ATOM      0  HB3 CYS A   7     -13.032   2.335   5.112  1.00  0.00           H   new
ATOM      0  HG  CYS A   7     -12.462   3.443   2.371  1.00  0.00           H   new
ATOM    618  N   SER A   8     -16.080   4.910   5.477  1.00  0.00           N
ATOM    619  CA  SER A   8     -17.547   4.684   5.272  1.00  0.00           C
ATOM    620  C   SER A   8     -17.813   3.814   4.026  1.00  0.00           C
ATOM    621  O   SER A   8     -18.915   3.353   3.820  1.00  0.00           O
ATOM    622  CB  SER A   8     -18.242   6.040   5.108  1.00  0.00           C
ATOM    623  OG  SER A   8     -17.894   6.875   6.207  1.00  0.00           O
ATOM      0  H   SER A   8     -15.794   5.889   5.487  1.00  0.00           H   new
ATOM      0  HA  SER A   8     -17.941   4.157   6.141  1.00  0.00           H   new
ATOM      0  HB2 SER A   8     -17.940   6.507   4.170  1.00  0.00           H   new
ATOM      0  HB3 SER A   8     -19.323   5.906   5.064  1.00  0.00           H   new
ATOM      0  HG  SER A   8     -18.333   7.745   6.109  1.00  0.00           H   new
ATOM    629  N   ASN A   9     -16.823   3.595   3.193  1.00  0.00           N
ATOM    630  CA  ASN A   9     -17.039   2.762   1.967  1.00  0.00           C
ATOM    631  C   ASN A   9     -16.611   1.302   2.215  1.00  0.00           C
ATOM    632  O   ASN A   9     -17.164   0.392   1.629  1.00  0.00           O
ATOM    633  CB  ASN A   9     -16.222   3.343   0.808  1.00  0.00           C
ATOM    634  CG  ASN A   9     -16.994   4.471   0.110  1.00  0.00           C
ATOM    635  OD1 ASN A   9     -16.720   4.783  -1.028  1.00  0.00           O
ATOM    636  ND2 ASN A   9     -17.947   5.106   0.739  1.00  0.00           N
ATOM      0  H   ASN A   9     -15.876   3.956   3.309  1.00  0.00           H   new
ATOM      0  HA  ASN A   9     -18.100   2.775   1.719  1.00  0.00           H   new
ATOM      0  HB2 ASN A   9     -15.272   3.724   1.182  1.00  0.00           H   new
ATOM      0  HB3 ASN A   9     -15.990   2.556   0.090  1.00  0.00           H   new
ATOM      0 HD21 ASN A   9     -18.454   5.858   0.272  1.00  0.00           H   new
ATOM      0 HD22 ASN A   9     -18.184   4.850   1.697  1.00  0.00           H   new
ATOM    643  N   CYS A  10     -15.634   1.059   3.062  1.00  0.00           N
ATOM    644  CA  CYS A  10     -15.211  -0.359   3.306  1.00  0.00           C
ATOM    645  C   CYS A  10     -14.876  -0.600   4.798  1.00  0.00           C
ATOM    646  O   CYS A  10     -14.214  -1.557   5.145  1.00  0.00           O
ATOM    647  CB  CYS A  10     -14.007  -0.693   2.407  1.00  0.00           C
ATOM    648  SG  CYS A  10     -12.519   0.145   2.985  1.00  0.00           S
ATOM      0  H   CYS A  10     -15.120   1.768   3.586  1.00  0.00           H   new
ATOM      0  HA  CYS A  10     -16.039  -1.021   3.055  1.00  0.00           H   new
ATOM      0  HB2 CYS A  10     -13.842  -1.770   2.399  1.00  0.00           H   new
ATOM      0  HB3 CYS A  10     -14.221  -0.395   1.380  1.00  0.00           H   new
ATOM      0  HG  CYS A  10     -12.750   1.421   3.084  1.00  0.00           H   new
ATOM    653  N   GLN A  11     -15.351   0.258   5.676  1.00  0.00           N
ATOM    654  CA  GLN A  11     -15.098   0.104   7.152  1.00  0.00           C
ATOM    655  C   GLN A  11     -13.612  -0.179   7.451  1.00  0.00           C
ATOM    656  O   GLN A  11     -13.282  -0.758   8.468  1.00  0.00           O
ATOM    657  CB  GLN A  11     -15.971  -1.038   7.696  1.00  0.00           C
ATOM    658  CG  GLN A  11     -16.102  -0.919   9.223  1.00  0.00           C
ATOM    659  CD  GLN A  11     -17.368  -0.137   9.585  1.00  0.00           C
ATOM    660  OE1 GLN A  11     -18.355  -0.713   9.991  1.00  0.00           O
ATOM    661  NE2 GLN A  11     -17.381   1.158   9.459  1.00  0.00           N
ATOM      0  H   GLN A  11     -15.913   1.072   5.428  1.00  0.00           H   new
ATOM      0  HA  GLN A  11     -15.357   1.042   7.644  1.00  0.00           H   new
ATOM      0  HB2 GLN A  11     -16.958  -1.004   7.234  1.00  0.00           H   new
ATOM      0  HB3 GLN A  11     -15.530  -2.000   7.435  1.00  0.00           H   new
ATOM      0  HG2 GLN A  11     -16.139  -1.912   9.671  1.00  0.00           H   new
ATOM      0  HG3 GLN A  11     -15.226  -0.417   9.633  1.00  0.00           H   new
ATOM      0 HE21 GLN A  11     -16.553   1.646   9.118  1.00  0.00           H   new
ATOM      0 HE22 GLN A  11     -18.220   1.686   9.701  1.00  0.00           H   new
ATOM    670  N   THR A  12     -12.715   0.233   6.594  1.00  0.00           N
ATOM    671  CA  THR A  12     -11.267  -0.013   6.862  1.00  0.00           C
ATOM    672  C   THR A  12     -10.694   1.129   7.702  1.00  0.00           C
ATOM    673  O   THR A  12     -10.906   2.294   7.414  1.00  0.00           O
ATOM    674  CB  THR A  12     -10.492  -0.133   5.538  1.00  0.00           C
ATOM    675  OG1 THR A  12      -9.199  -0.668   5.800  1.00  0.00           O
ATOM    676  CG2 THR A  12     -10.353   1.239   4.869  1.00  0.00           C
ATOM      0  H   THR A  12     -12.920   0.726   5.725  1.00  0.00           H   new
ATOM      0  HA  THR A  12     -11.164  -0.948   7.412  1.00  0.00           H   new
ATOM      0  HB  THR A  12     -11.040  -0.793   4.866  1.00  0.00           H   new
ATOM      0  HG1 THR A  12      -8.525   0.033   5.681  1.00  0.00           H   new
ATOM      0 HG21 THR A  12      -9.802   1.134   3.934  1.00  0.00           H   new
ATOM      0 HG22 THR A  12     -11.343   1.645   4.663  1.00  0.00           H   new
ATOM      0 HG23 THR A  12      -9.815   1.915   5.533  1.00  0.00           H   new
ATOM    684  N   SER A  13      -9.963   0.800   8.736  1.00  0.00           N
ATOM    685  CA  SER A  13      -9.353   1.856   9.600  1.00  0.00           C
ATOM    686  C   SER A  13      -7.958   2.207   9.054  1.00  0.00           C
ATOM    687  O   SER A  13      -7.439   3.281   9.291  1.00  0.00           O
ATOM    688  CB  SER A  13      -9.223   1.334  11.032  1.00  0.00           C
ATOM    689  OG  SER A  13      -8.328   0.226  11.047  1.00  0.00           O
ATOM      0  H   SER A  13      -9.761  -0.159   9.020  1.00  0.00           H   new
ATOM      0  HA  SER A  13      -9.985   2.744   9.597  1.00  0.00           H   new
ATOM      0  HB2 SER A  13      -8.855   2.123  11.687  1.00  0.00           H   new
ATOM      0  HB3 SER A  13     -10.199   1.033  11.412  1.00  0.00           H   new
ATOM      0  HG  SER A  13      -8.240  -0.111  11.963  1.00  0.00           H   new
ATOM    695  N   THR A  14      -7.357   1.298   8.318  1.00  0.00           N
ATOM    696  CA  THR A  14      -6.005   1.550   7.737  1.00  0.00           C
ATOM    697  C   THR A  14      -6.157   1.977   6.278  1.00  0.00           C
ATOM    698  O   THR A  14      -6.856   1.343   5.503  1.00  0.00           O
ATOM    699  CB  THR A  14      -5.169   0.265   7.790  1.00  0.00           C
ATOM    700  OG1 THR A  14      -5.957  -0.825   7.326  1.00  0.00           O
ATOM    701  CG2 THR A  14      -4.719   0.001   9.227  1.00  0.00           C
ATOM      0  H   THR A  14      -7.753   0.385   8.096  1.00  0.00           H   new
ATOM      0  HA  THR A  14      -5.509   2.334   8.310  1.00  0.00           H   new
ATOM      0  HB  THR A  14      -4.289   0.376   7.156  1.00  0.00           H   new
ATOM      0  HG1 THR A  14      -6.569  -0.512   6.628  1.00  0.00           H   new
ATOM      0 HG21 THR A  14      -4.125  -0.913   9.260  1.00  0.00           H   new
ATOM      0 HG22 THR A  14      -4.116   0.838   9.579  1.00  0.00           H   new
ATOM      0 HG23 THR A  14      -5.594  -0.111   9.867  1.00  0.00           H   new
ATOM    709  N   THR A  15      -5.512   3.045   5.891  1.00  0.00           N
ATOM    710  CA  THR A  15      -5.621   3.509   4.474  1.00  0.00           C
ATOM    711  C   THR A  15      -4.317   4.190   4.054  1.00  0.00           C
ATOM    712  O   THR A  15      -3.734   4.953   4.802  1.00  0.00           O
ATOM    713  CB  THR A  15      -6.782   4.503   4.325  1.00  0.00           C
ATOM    714  OG1 THR A  15      -6.404   5.769   4.846  1.00  0.00           O
ATOM    715  CG2 THR A  15      -8.010   3.994   5.077  1.00  0.00           C
ATOM      0  H   THR A  15      -4.916   3.615   6.491  1.00  0.00           H   new
ATOM      0  HA  THR A  15      -5.808   2.645   3.837  1.00  0.00           H   new
ATOM      0  HB  THR A  15      -7.023   4.602   3.267  1.00  0.00           H   new
ATOM      0  HG1 THR A  15      -7.019   6.024   5.565  1.00  0.00           H   new
ATOM      0 HG21 THR A  15      -8.827   4.707   4.964  1.00  0.00           H   new
ATOM      0 HG22 THR A  15      -8.312   3.029   4.670  1.00  0.00           H   new
ATOM      0 HG23 THR A  15      -7.769   3.883   6.134  1.00  0.00           H   new
ATOM    723  N   THR A  16      -3.862   3.926   2.853  1.00  0.00           N
ATOM    724  CA  THR A  16      -2.601   4.570   2.368  1.00  0.00           C
ATOM    725  C   THR A  16      -2.826   6.079   2.279  1.00  0.00           C
ATOM    726  O   THR A  16      -1.938   6.865   2.537  1.00  0.00           O
ATOM    727  CB  THR A  16      -2.228   4.019   0.981  1.00  0.00           C
ATOM    728  OG1 THR A  16      -3.407   3.844   0.203  1.00  0.00           O
ATOM    729  CG2 THR A  16      -1.496   2.692   1.134  1.00  0.00           C
ATOM      0  H   THR A  16      -4.308   3.294   2.189  1.00  0.00           H   new
ATOM      0  HA  THR A  16      -1.787   4.353   3.060  1.00  0.00           H   new
ATOM      0  HB  THR A  16      -1.571   4.726   0.474  1.00  0.00           H   new
ATOM      0  HG1 THR A  16      -3.167   3.495  -0.681  1.00  0.00           H   new
ATOM      0 HG21 THR A  16      -1.234   2.305   0.149  1.00  0.00           H   new
ATOM      0 HG22 THR A  16      -0.588   2.842   1.718  1.00  0.00           H   new
ATOM      0 HG23 THR A  16      -2.142   1.977   1.644  1.00  0.00           H   new
ATOM    737  N   LEU A  17      -4.019   6.481   1.923  1.00  0.00           N
ATOM    738  CA  LEU A  17      -4.326   7.934   1.818  1.00  0.00           C
ATOM    739  C   LEU A  17      -5.769   8.185   2.264  1.00  0.00           C
ATOM    740  O   LEU A  17      -6.715   7.896   1.549  1.00  0.00           O
ATOM    741  CB  LEU A  17      -4.144   8.382   0.367  1.00  0.00           C
ATOM    742  CG  LEU A  17      -2.707   8.114  -0.058  1.00  0.00           C
ATOM    743  CD1 LEU A  17      -2.598   8.232  -1.573  1.00  0.00           C
ATOM    744  CD2 LEU A  17      -1.783   9.130   0.614  1.00  0.00           C
ATOM      0  H   LEU A  17      -4.796   5.859   1.700  1.00  0.00           H   new
ATOM      0  HA  LEU A  17      -3.651   8.501   2.459  1.00  0.00           H   new
ATOM      0  HB2 LEU A  17      -4.835   7.845  -0.282  1.00  0.00           H   new
ATOM      0  HB3 LEU A  17      -4.374   9.443   0.269  1.00  0.00           H   new
ATOM      0  HG  LEU A  17      -2.413   7.109   0.244  1.00  0.00           H   new
ATOM      0 HD11 LEU A  17      -1.570   8.041  -1.880  1.00  0.00           H   new
ATOM      0 HD12 LEU A  17      -3.259   7.504  -2.043  1.00  0.00           H   new
ATOM      0 HD13 LEU A  17      -2.888   9.237  -1.881  1.00  0.00           H   new
ATOM      0 HD21 LEU A  17      -0.753   8.941   0.312  1.00  0.00           H   new
ATOM      0 HD22 LEU A  17      -2.070  10.138   0.313  1.00  0.00           H   new
ATOM      0 HD23 LEU A  17      -1.866   9.037   1.697  1.00  0.00           H   new
ATOM    756  N   TRP A  18      -5.950   8.724   3.442  1.00  0.00           N
ATOM    757  CA  TRP A  18      -7.328   9.001   3.933  1.00  0.00           C
ATOM    758  C   TRP A  18      -8.011  10.015   3.017  1.00  0.00           C
ATOM    759  O   TRP A  18      -7.795  11.207   3.120  1.00  0.00           O
ATOM    760  CB  TRP A  18      -7.270   9.549   5.361  1.00  0.00           C
ATOM    761  CG  TRP A  18      -7.411   8.416   6.318  1.00  0.00           C
ATOM    762  CD1 TRP A  18      -6.567   8.135   7.337  1.00  0.00           C
ATOM    763  CD2 TRP A  18      -8.456   7.405   6.358  1.00  0.00           C
ATOM    764  NE1 TRP A  18      -7.030   7.011   7.999  1.00  0.00           N
ATOM    765  CE2 TRP A  18      -8.191   6.527   7.430  1.00  0.00           C
ATOM    766  CE3 TRP A  18      -9.596   7.169   5.568  1.00  0.00           C
ATOM    767  CZ2 TRP A  18      -9.027   5.452   7.713  1.00  0.00           C
ATOM    768  CZ3 TRP A  18     -10.443   6.088   5.848  1.00  0.00           C
ATOM    769  CH2 TRP A  18     -10.158   5.230   6.918  1.00  0.00           C
ATOM      0  H   TRP A  18      -5.201   8.984   4.084  1.00  0.00           H   new
ATOM      0  HA  TRP A  18      -7.901   8.074   3.929  1.00  0.00           H   new
ATOM      0  HB2 TRP A  18      -6.326  10.068   5.528  1.00  0.00           H   new
ATOM      0  HB3 TRP A  18      -8.066  10.277   5.518  1.00  0.00           H   new
ATOM      0  HD1 TRP A  18      -5.679   8.695   7.592  1.00  0.00           H   new
ATOM      0  HE1 TRP A  18      -6.570   6.592   8.807  1.00  0.00           H   new
ATOM      0  HE3 TRP A  18      -9.820   7.825   4.740  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  18      -8.805   4.793   8.540  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  18     -11.317   5.916   5.238  1.00  0.00           H   new
ATOM      0  HH2 TRP A  18     -10.811   4.396   7.130  1.00  0.00           H   new
ATOM    780  N   ARG A  19      -8.845   9.549   2.126  1.00  0.00           N
ATOM    781  CA  ARG A  19      -9.549  10.487   1.211  1.00  0.00           C
ATOM    782  C   ARG A  19     -10.792  11.035   1.920  1.00  0.00           C
ATOM    783  O   ARG A  19     -11.897  10.558   1.728  1.00  0.00           O
ATOM    784  CB  ARG A  19      -9.947   9.759  -0.081  1.00  0.00           C
ATOM    785  CG  ARG A  19     -10.744  10.711  -0.983  1.00  0.00           C
ATOM    786  CD  ARG A  19     -10.427  10.425  -2.454  1.00  0.00           C
ATOM    787  NE  ARG A  19     -10.075  11.709  -3.161  1.00  0.00           N
ATOM    788  CZ  ARG A  19     -10.829  12.781  -3.078  1.00  0.00           C
ATOM    789  NH1 ARG A  19     -12.011  12.738  -2.535  1.00  0.00           N
ATOM    790  NH2 ARG A  19     -10.409  13.899  -3.596  1.00  0.00           N
ATOM      0  H   ARG A  19      -9.067   8.562   1.994  1.00  0.00           H   new
ATOM      0  HA  ARG A  19      -8.888  11.314   0.949  1.00  0.00           H   new
ATOM      0  HB2 ARG A  19      -9.056   9.408  -0.602  1.00  0.00           H   new
ATOM      0  HB3 ARG A  19     -10.545   8.879   0.155  1.00  0.00           H   new
ATOM      0  HG2 ARG A  19     -11.812  10.588  -0.802  1.00  0.00           H   new
ATOM      0  HG3 ARG A  19     -10.497  11.745  -0.743  1.00  0.00           H   new
ATOM      0  HD2 ARG A  19      -9.598   9.721  -2.526  1.00  0.00           H   new
ATOM      0  HD3 ARG A  19     -11.286   9.958  -2.936  1.00  0.00           H   new
ATOM      0  HE  ARG A  19      -9.224  11.746  -3.722  1.00  0.00           H   new
ATOM      0 HH11 ARG A  19     -12.370  11.859  -2.163  1.00  0.00           H   new
ATOM      0 HH12 ARG A  19     -12.579  13.584  -2.482  1.00  0.00           H   new
ATOM      0 HH21 ARG A  19      -9.502  13.937  -4.061  1.00  0.00           H   new
ATOM      0 HH22 ARG A  19     -10.987  14.737  -3.537  1.00  0.00           H   new
ATOM    804  N   ARG A  20     -10.619  12.038   2.745  1.00  0.00           N
ATOM    805  CA  ARG A  20     -11.787  12.626   3.462  1.00  0.00           C
ATOM    806  C   ARG A  20     -12.744  13.218   2.419  1.00  0.00           C
ATOM    807  O   ARG A  20     -12.560  14.326   1.950  1.00  0.00           O
ATOM    808  CB  ARG A  20     -11.300  13.721   4.424  1.00  0.00           C
ATOM    809  CG  ARG A  20     -12.496  14.498   4.992  1.00  0.00           C
ATOM    810  CD  ARG A  20     -13.223  13.651   6.040  1.00  0.00           C
ATOM    811  NE  ARG A  20     -12.861  14.139   7.407  1.00  0.00           N
ATOM    812  CZ  ARG A  20     -13.563  13.799   8.458  1.00  0.00           C
ATOM    813  NH1 ARG A  20     -14.605  13.031   8.345  1.00  0.00           N
ATOM    814  NH2 ARG A  20     -13.215  14.233   9.631  1.00  0.00           N
ATOM      0  H   ARG A  20      -9.720  12.473   2.951  1.00  0.00           H   new
ATOM      0  HA  ARG A  20     -12.304  11.862   4.042  1.00  0.00           H   new
ATOM      0  HB2 ARG A  20     -10.729  13.273   5.237  1.00  0.00           H   new
ATOM      0  HB3 ARG A  20     -10.629  14.403   3.901  1.00  0.00           H   new
ATOM      0  HG2 ARG A  20     -12.154  15.431   5.440  1.00  0.00           H   new
ATOM      0  HG3 ARG A  20     -13.182  14.764   4.188  1.00  0.00           H   new
ATOM      0  HD2 ARG A  20     -14.301  13.715   5.892  1.00  0.00           H   new
ATOM      0  HD3 ARG A  20     -12.948  12.602   5.931  1.00  0.00           H   new
ATOM      0  HE  ARG A  20     -12.051  14.749   7.522  1.00  0.00           H   new
ATOM      0 HH11 ARG A  20     -14.886  12.684   7.428  1.00  0.00           H   new
ATOM      0 HH12 ARG A  20     -15.142  12.775   9.174  1.00  0.00           H   new
ATOM      0 HH21 ARG A  20     -12.398  14.836   9.730  1.00  0.00           H   new
ATOM      0 HH22 ARG A  20     -13.758  13.971  10.454  1.00  0.00           H   new
ATOM    828  N   SER A  21     -13.750  12.471   2.032  1.00  0.00           N
ATOM    829  CA  SER A  21     -14.707  12.975   1.000  1.00  0.00           C
ATOM    830  C   SER A  21     -15.366  14.278   1.476  1.00  0.00           C
ATOM    831  O   SER A  21     -15.814  14.366   2.604  1.00  0.00           O
ATOM    832  CB  SER A  21     -15.785  11.922   0.735  1.00  0.00           C
ATOM    833  OG  SER A  21     -16.282  12.097  -0.585  1.00  0.00           O
ATOM      0  H   SER A  21     -13.949  11.535   2.386  1.00  0.00           H   new
ATOM      0  HA  SER A  21     -14.158  13.172   0.079  1.00  0.00           H   new
ATOM      0  HB2 SER A  21     -15.371  10.920   0.853  1.00  0.00           H   new
ATOM      0  HB3 SER A  21     -16.594  12.020   1.459  1.00  0.00           H   new
ATOM      0  HG  SER A  21     -16.973  11.426  -0.766  1.00  0.00           H   new
ATOM    839  N   PRO A  22     -15.406  15.251   0.590  1.00  0.00           N
ATOM    840  CA  PRO A  22     -16.001  16.571   0.886  1.00  0.00           C
ATOM    841  C   PRO A  22     -17.456  16.415   1.346  1.00  0.00           C
ATOM    842  O   PRO A  22     -17.932  17.164   2.175  1.00  0.00           O
ATOM    843  CB  PRO A  22     -15.921  17.344  -0.440  1.00  0.00           C
ATOM    844  CG  PRO A  22     -15.220  16.431  -1.478  1.00  0.00           C
ATOM    845  CD  PRO A  22     -14.872  15.108  -0.777  1.00  0.00           C
ATOM      0  HA  PRO A  22     -15.480  17.090   1.691  1.00  0.00           H   new
ATOM      0  HB2 PRO A  22     -16.919  17.618  -0.784  1.00  0.00           H   new
ATOM      0  HB3 PRO A  22     -15.364  18.271  -0.309  1.00  0.00           H   new
ATOM      0  HG2 PRO A  22     -15.873  16.251  -2.332  1.00  0.00           H   new
ATOM      0  HG3 PRO A  22     -14.319  16.909  -1.861  1.00  0.00           H   new
ATOM      0  HD2 PRO A  22     -15.323  14.259  -1.290  1.00  0.00           H   new
ATOM      0  HD3 PRO A  22     -13.795  14.939  -0.765  1.00  0.00           H   new
ATOM    853  N   MET A  23     -18.158  15.433   0.828  1.00  0.00           N
ATOM    854  CA  MET A  23     -19.575  15.207   1.251  1.00  0.00           C
ATOM    855  C   MET A  23     -19.641  15.035   2.780  1.00  0.00           C
ATOM    856  O   MET A  23     -20.663  15.275   3.394  1.00  0.00           O
ATOM    857  CB  MET A  23     -20.109  13.938   0.572  1.00  0.00           C
ATOM    858  CG  MET A  23     -21.016  14.320  -0.600  1.00  0.00           C
ATOM    859  SD  MET A  23     -20.002  14.684  -2.053  1.00  0.00           S
ATOM    860  CE  MET A  23     -20.668  16.331  -2.388  1.00  0.00           C
ATOM      0  H   MET A  23     -17.808  14.778   0.129  1.00  0.00           H   new
ATOM      0  HA  MET A  23     -20.181  16.065   0.959  1.00  0.00           H   new
ATOM      0  HB2 MET A  23     -19.279  13.327   0.217  1.00  0.00           H   new
ATOM      0  HB3 MET A  23     -20.663  13.335   1.291  1.00  0.00           H   new
ATOM      0  HG2 MET A  23     -21.707  13.506  -0.820  1.00  0.00           H   new
ATOM      0  HG3 MET A  23     -21.620  15.189  -0.338  1.00  0.00           H   new
ATOM      0  HE1 MET A  23     -20.174  16.752  -3.263  1.00  0.00           H   new
ATOM      0  HE2 MET A  23     -21.739  16.259  -2.576  1.00  0.00           H   new
ATOM      0  HE3 MET A  23     -20.493  16.976  -1.527  1.00  0.00           H   new
ATOM    870  N   GLY A  24     -18.554  14.630   3.395  1.00  0.00           N
ATOM    871  CA  GLY A  24     -18.542  14.450   4.880  1.00  0.00           C
ATOM    872  C   GLY A  24     -18.322  12.972   5.240  1.00  0.00           C
ATOM    873  O   GLY A  24     -18.736  12.518   6.289  1.00  0.00           O
ATOM      0  H   GLY A  24     -17.672  14.416   2.929  1.00  0.00           H   new
ATOM      0  HA2 GLY A  24     -17.752  15.059   5.320  1.00  0.00           H   new
ATOM      0  HA3 GLY A  24     -19.485  14.797   5.302  1.00  0.00           H   new
ATOM    877  N   ASP A  25     -17.670  12.218   4.390  1.00  0.00           N
ATOM    878  CA  ASP A  25     -17.432  10.775   4.702  1.00  0.00           C
ATOM    879  C   ASP A  25     -15.961  10.405   4.441  1.00  0.00           C
ATOM    880  O   ASP A  25     -15.518  10.381   3.305  1.00  0.00           O
ATOM    881  CB  ASP A  25     -18.337   9.904   3.820  1.00  0.00           C
ATOM    882  CG  ASP A  25     -19.796  10.070   4.242  1.00  0.00           C
ATOM    883  OD1 ASP A  25     -20.098   9.788   5.390  1.00  0.00           O
ATOM    884  OD2 ASP A  25     -20.586  10.470   3.406  1.00  0.00           O
ATOM      0  H   ASP A  25     -17.294  12.537   3.497  1.00  0.00           H   new
ATOM      0  HA  ASP A  25     -17.660  10.602   5.754  1.00  0.00           H   new
ATOM      0  HB2 ASP A  25     -18.218  10.185   2.774  1.00  0.00           H   new
ATOM      0  HB3 ASP A  25     -18.042   8.858   3.904  1.00  0.00           H   new
ATOM    889  N   PRO A  26     -15.247  10.108   5.502  1.00  0.00           N
ATOM    890  CA  PRO A  26     -13.834   9.702   5.406  1.00  0.00           C
ATOM    891  C   PRO A  26     -13.741   8.327   4.725  1.00  0.00           C
ATOM    892  O   PRO A  26     -14.063   7.309   5.316  1.00  0.00           O
ATOM    893  CB  PRO A  26     -13.352   9.618   6.863  1.00  0.00           C
ATOM    894  CG  PRO A  26     -14.567   9.911   7.780  1.00  0.00           C
ATOM    895  CD  PRO A  26     -15.783  10.169   6.875  1.00  0.00           C
ATOM      0  HA  PRO A  26     -13.232  10.395   4.819  1.00  0.00           H   new
ATOM      0  HB2 PRO A  26     -12.943   8.630   7.074  1.00  0.00           H   new
ATOM      0  HB3 PRO A  26     -12.554  10.338   7.044  1.00  0.00           H   new
ATOM      0  HG2 PRO A  26     -14.757   9.068   8.445  1.00  0.00           H   new
ATOM      0  HG3 PRO A  26     -14.370  10.777   8.412  1.00  0.00           H   new
ATOM      0  HD2 PRO A  26     -16.559   9.419   7.031  1.00  0.00           H   new
ATOM      0  HD3 PRO A  26     -16.232  11.140   7.082  1.00  0.00           H   new
ATOM    903  N   VAL A  27     -13.312   8.284   3.489  1.00  0.00           N
ATOM    904  CA  VAL A  27     -13.205   6.973   2.778  1.00  0.00           C
ATOM    905  C   VAL A  27     -11.765   6.737   2.316  1.00  0.00           C
ATOM    906  O   VAL A  27     -11.165   7.564   1.659  1.00  0.00           O
ATOM    907  CB  VAL A  27     -14.151   6.943   1.569  1.00  0.00           C
ATOM    908  CG1 VAL A  27     -15.568   6.616   2.044  1.00  0.00           C
ATOM    909  CG2 VAL A  27     -14.160   8.305   0.867  1.00  0.00           C
ATOM      0  H   VAL A  27     -13.032   9.098   2.942  1.00  0.00           H   new
ATOM      0  HA  VAL A  27     -13.490   6.180   3.470  1.00  0.00           H   new
ATOM      0  HB  VAL A  27     -13.805   6.183   0.869  1.00  0.00           H   new
ATOM      0 HG11 VAL A  27     -16.243   6.594   1.188  1.00  0.00           H   new
ATOM      0 HG12 VAL A  27     -15.572   5.643   2.534  1.00  0.00           H   new
ATOM      0 HG13 VAL A  27     -15.901   7.378   2.748  1.00  0.00           H   new
ATOM      0 HG21 VAL A  27     -14.835   8.269   0.012  1.00  0.00           H   new
ATOM      0 HG22 VAL A  27     -14.498   9.071   1.564  1.00  0.00           H   new
ATOM      0 HG23 VAL A  27     -13.153   8.545   0.525  1.00  0.00           H   new
ATOM    919  N   CYS A  28     -11.208   5.605   2.662  1.00  0.00           N
ATOM    920  CA  CYS A  28      -9.818   5.277   2.253  1.00  0.00           C
ATOM    921  C   CYS A  28      -9.663   5.536   0.744  1.00  0.00           C
ATOM    922  O   CYS A  28     -10.502   5.154  -0.051  1.00  0.00           O
ATOM    923  CB  CYS A  28      -9.542   3.804   2.607  1.00  0.00           C
ATOM    924  SG  CYS A  28     -10.232   2.696   1.352  1.00  0.00           S
ATOM      0  H   CYS A  28     -11.669   4.886   3.220  1.00  0.00           H   new
ATOM      0  HA  CYS A  28      -9.095   5.902   2.777  1.00  0.00           H   new
ATOM      0  HB2 CYS A  28      -8.467   3.641   2.690  1.00  0.00           H   new
ATOM      0  HB3 CYS A  28      -9.976   3.572   3.580  1.00  0.00           H   new
ATOM      0  HG  CYS A  28     -10.995   1.813   1.925  1.00  0.00           H   new
ATOM    929  N   ASN A  29      -8.610   6.222   0.360  1.00  0.00           N
ATOM    930  CA  ASN A  29      -8.378   6.572  -1.088  1.00  0.00           C
ATOM    931  C   ASN A  29      -8.849   5.446  -2.031  1.00  0.00           C
ATOM    932  O   ASN A  29      -9.539   5.697  -2.998  1.00  0.00           O
ATOM    933  CB  ASN A  29      -6.883   6.830  -1.311  1.00  0.00           C
ATOM    934  CG  ASN A  29      -6.699   7.865  -2.423  1.00  0.00           C
ATOM    935  OD1 ASN A  29      -6.976   7.595  -3.570  1.00  0.00           O
ATOM    936  ND2 ASN A  29      -6.243   9.052  -2.128  1.00  0.00           N
ATOM      0  H   ASN A  29      -7.888   6.561   0.996  1.00  0.00           H   new
ATOM      0  HA  ASN A  29      -8.958   7.466  -1.317  1.00  0.00           H   new
ATOM      0  HB2 ASN A  29      -6.424   7.187  -0.389  1.00  0.00           H   new
ATOM      0  HB3 ASN A  29      -6.380   5.901  -1.579  1.00  0.00           H   new
ATOM      0 HD21 ASN A  29      -6.121   9.749  -2.863  1.00  0.00           H   new
ATOM      0 HD22 ASN A  29      -6.009   9.283  -1.163  1.00  0.00           H   new
ATOM    943  N   ALA A  30      -8.477   4.217  -1.758  1.00  0.00           N
ATOM    944  CA  ALA A  30      -8.897   3.071  -2.635  1.00  0.00           C
ATOM    945  C   ALA A  30     -10.393   3.165  -2.982  1.00  0.00           C
ATOM    946  O   ALA A  30     -10.778   3.110  -4.138  1.00  0.00           O
ATOM    947  CB  ALA A  30      -8.642   1.760  -1.892  1.00  0.00           C
ATOM      0  H   ALA A  30      -7.897   3.955  -0.961  1.00  0.00           H   new
ATOM      0  HA  ALA A  30      -8.321   3.108  -3.560  1.00  0.00           H   new
ATOM      0  HB1 ALA A  30      -8.943   0.921  -2.520  1.00  0.00           H   new
ATOM      0  HB2 ALA A  30      -7.581   1.675  -1.658  1.00  0.00           H   new
ATOM      0  HB3 ALA A  30      -9.220   1.747  -0.968  1.00  0.00           H   new
ATOM    953  N   CYS A  31     -11.235   3.315  -1.988  1.00  0.00           N
ATOM    954  CA  CYS A  31     -12.708   3.427  -2.241  1.00  0.00           C
ATOM    955  C   CYS A  31     -12.979   4.661  -3.103  1.00  0.00           C
ATOM    956  O   CYS A  31     -13.693   4.603  -4.085  1.00  0.00           O
ATOM    957  CB  CYS A  31     -13.441   3.579  -0.903  1.00  0.00           C
ATOM    958  SG  CYS A  31     -13.580   1.967  -0.098  1.00  0.00           S
ATOM      0  H   CYS A  31     -10.964   3.365  -1.006  1.00  0.00           H   new
ATOM      0  HA  CYS A  31     -13.060   2.533  -2.755  1.00  0.00           H   new
ATOM      0  HB2 CYS A  31     -12.901   4.273  -0.258  1.00  0.00           H   new
ATOM      0  HB3 CYS A  31     -14.432   4.001  -1.066  1.00  0.00           H   new
ATOM      0  HG  CYS A  31     -13.569   2.124   1.192  1.00  0.00           H   new
ATOM    963  N   GLY A  32     -12.406   5.778  -2.735  1.00  0.00           N
ATOM    964  CA  GLY A  32     -12.613   7.041  -3.512  1.00  0.00           C
ATOM    965  C   GLY A  32     -12.150   6.870  -4.966  1.00  0.00           C
ATOM    966  O   GLY A  32     -12.710   7.459  -5.875  1.00  0.00           O
ATOM      0  H   GLY A  32     -11.797   5.872  -1.922  1.00  0.00           H   new
ATOM      0  HA2 GLY A  32     -13.667   7.317  -3.492  1.00  0.00           H   new
ATOM      0  HA3 GLY A  32     -12.061   7.856  -3.044  1.00  0.00           H   new
ATOM    970  N   LEU A  33     -11.127   6.088  -5.193  1.00  0.00           N
ATOM    971  CA  LEU A  33     -10.621   5.895  -6.586  1.00  0.00           C
ATOM    972  C   LEU A  33     -11.577   4.995  -7.376  1.00  0.00           C
ATOM    973  O   LEU A  33     -12.159   5.420  -8.359  1.00  0.00           O
ATOM    974  CB  LEU A  33      -9.229   5.258  -6.540  1.00  0.00           C
ATOM    975  CG  LEU A  33      -8.202   6.293  -6.079  1.00  0.00           C
ATOM    976  CD1 LEU A  33      -6.889   5.591  -5.737  1.00  0.00           C
ATOM    977  CD2 LEU A  33      -7.957   7.304  -7.202  1.00  0.00           C
ATOM      0  H   LEU A  33     -10.619   5.574  -4.473  1.00  0.00           H   new
ATOM      0  HA  LEU A  33     -10.562   6.864  -7.081  1.00  0.00           H   new
ATOM      0  HB2 LEU A  33      -9.231   4.406  -5.860  1.00  0.00           H   new
ATOM      0  HB3 LEU A  33      -8.960   4.879  -7.526  1.00  0.00           H   new
ATOM      0  HG  LEU A  33      -8.580   6.810  -5.197  1.00  0.00           H   new
ATOM      0 HD11 LEU A  33      -6.157   6.329  -5.408  1.00  0.00           H   new
ATOM      0 HD12 LEU A  33      -7.060   4.869  -4.939  1.00  0.00           H   new
ATOM      0 HD13 LEU A  33      -6.512   5.074  -6.620  1.00  0.00           H   new
ATOM      0 HD21 LEU A  33      -7.225   8.042  -6.874  1.00  0.00           H   new
ATOM      0 HD22 LEU A  33      -7.579   6.785  -8.083  1.00  0.00           H   new
ATOM      0 HD23 LEU A  33      -8.892   7.806  -7.450  1.00  0.00           H   new
ATOM    989  N   TYR A  34     -11.756   3.761  -6.962  1.00  0.00           N
ATOM    990  CA  TYR A  34     -12.692   2.858  -7.705  1.00  0.00           C
ATOM    991  C   TYR A  34     -14.071   3.529  -7.787  1.00  0.00           C
ATOM    992  O   TYR A  34     -14.731   3.489  -8.812  1.00  0.00           O
ATOM    993  CB  TYR A  34     -12.811   1.505  -6.982  1.00  0.00           C
ATOM    994  CG  TYR A  34     -13.821   0.638  -7.705  1.00  0.00           C
ATOM    995  CD1 TYR A  34     -15.191   0.841  -7.494  1.00  0.00           C
ATOM    996  CD2 TYR A  34     -13.390  -0.353  -8.596  1.00  0.00           C
ATOM    997  CE1 TYR A  34     -16.127   0.056  -8.175  1.00  0.00           C
ATOM    998  CE2 TYR A  34     -14.329  -1.141  -9.272  1.00  0.00           C
ATOM    999  CZ  TYR A  34     -15.695  -0.934  -9.064  1.00  0.00           C
ATOM   1000  OH  TYR A  34     -16.619  -1.705  -9.739  1.00  0.00           O
ATOM      0  H   TYR A  34     -11.299   3.345  -6.151  1.00  0.00           H   new
ATOM      0  HA  TYR A  34     -12.306   2.681  -8.709  1.00  0.00           H   new
ATOM      0  HB2 TYR A  34     -11.841   1.008  -6.955  1.00  0.00           H   new
ATOM      0  HB3 TYR A  34     -13.120   1.658  -5.948  1.00  0.00           H   new
ATOM      0  HD1 TYR A  34     -15.524   1.604  -6.806  1.00  0.00           H   new
ATOM      0  HD2 TYR A  34     -12.334  -0.509  -8.761  1.00  0.00           H   new
ATOM      0  HE1 TYR A  34     -17.183   0.214  -8.015  1.00  0.00           H   new
ATOM      0  HE2 TYR A  34     -13.997  -1.909  -9.955  1.00  0.00           H   new
ATOM      0  HH  TYR A  34     -16.178  -2.169 -10.481  1.00  0.00           H   new
ATOM   1010  N   TYR A  35     -14.503   4.159  -6.718  1.00  0.00           N
ATOM   1011  CA  TYR A  35     -15.830   4.846  -6.730  1.00  0.00           C
ATOM   1012  C   TYR A  35     -15.887   5.840  -7.899  1.00  0.00           C
ATOM   1013  O   TYR A  35     -16.847   5.884  -8.628  1.00  0.00           O
ATOM   1014  CB  TYR A  35     -16.033   5.597  -5.408  1.00  0.00           C
ATOM   1015  CG  TYR A  35     -17.466   6.069  -5.305  1.00  0.00           C
ATOM   1016  CD1 TYR A  35     -17.841   7.296  -5.865  1.00  0.00           C
ATOM   1017  CD2 TYR A  35     -18.417   5.279  -4.650  1.00  0.00           C
ATOM   1018  CE1 TYR A  35     -19.168   7.733  -5.769  1.00  0.00           C
ATOM   1019  CE2 TYR A  35     -19.744   5.717  -4.554  1.00  0.00           C
ATOM   1020  CZ  TYR A  35     -20.119   6.943  -5.113  1.00  0.00           C
ATOM   1021  OH  TYR A  35     -21.428   7.370  -5.018  1.00  0.00           O
ATOM      0  H   TYR A  35     -13.991   4.225  -5.838  1.00  0.00           H   new
ATOM      0  HA  TYR A  35     -16.618   4.103  -6.849  1.00  0.00           H   new
ATOM      0  HB2 TYR A  35     -15.793   4.945  -4.568  1.00  0.00           H   new
ATOM      0  HB3 TYR A  35     -15.355   6.449  -5.354  1.00  0.00           H   new
ATOM      0  HD1 TYR A  35     -17.107   7.906  -6.371  1.00  0.00           H   new
ATOM      0  HD2 TYR A  35     -18.128   4.332  -4.219  1.00  0.00           H   new
ATOM      0  HE1 TYR A  35     -19.458   8.680  -6.201  1.00  0.00           H   new
ATOM      0  HE2 TYR A  35     -20.478   5.108  -4.048  1.00  0.00           H   new
ATOM      0  HH  TYR A  35     -21.956   6.702  -4.533  1.00  0.00           H   new
ATOM   1031  N   LYS A  36     -14.863   6.634  -8.091  1.00  0.00           N
ATOM   1032  CA  LYS A  36     -14.872   7.616  -9.224  1.00  0.00           C
ATOM   1033  C   LYS A  36     -14.973   6.875 -10.574  1.00  0.00           C
ATOM   1034  O   LYS A  36     -15.553   7.380 -11.517  1.00  0.00           O
ATOM   1035  CB  LYS A  36     -13.580   8.453  -9.167  1.00  0.00           C
ATOM   1036  CG  LYS A  36     -13.100   8.810 -10.581  1.00  0.00           C
ATOM   1037  CD  LYS A  36     -12.061   9.934 -10.500  1.00  0.00           C
ATOM   1038  CE  LYS A  36     -10.834   9.572 -11.344  1.00  0.00           C
ATOM   1039  NZ  LYS A  36      -9.960  10.776 -11.492  1.00  0.00           N
ATOM      0  H   LYS A  36     -14.022   6.646  -7.514  1.00  0.00           H   new
ATOM      0  HA  LYS A  36     -15.737   8.273  -9.133  1.00  0.00           H   new
ATOM      0  HB2 LYS A  36     -13.757   9.365  -8.597  1.00  0.00           H   new
ATOM      0  HB3 LYS A  36     -12.803   7.896  -8.644  1.00  0.00           H   new
ATOM      0  HG2 LYS A  36     -12.666   7.933 -11.061  1.00  0.00           H   new
ATOM      0  HG3 LYS A  36     -13.944   9.124 -11.195  1.00  0.00           H   new
ATOM      0  HD2 LYS A  36     -12.495  10.869 -10.856  1.00  0.00           H   new
ATOM      0  HD3 LYS A  36     -11.766  10.094  -9.463  1.00  0.00           H   new
ATOM      0  HE2 LYS A  36     -10.279   8.762 -10.870  1.00  0.00           H   new
ATOM      0  HE3 LYS A  36     -11.146   9.213 -12.325  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  36      -9.127  10.532 -12.065  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  36     -10.492  11.536 -11.962  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  36      -9.652  11.099 -10.553  1.00  0.00           H   new
ATOM   1053  N   LEU A  37     -14.405   5.698 -10.677  1.00  0.00           N
ATOM   1054  CA  LEU A  37     -14.454   4.931 -11.968  1.00  0.00           C
ATOM   1055  C   LEU A  37     -15.908   4.685 -12.404  1.00  0.00           C
ATOM   1056  O   LEU A  37     -16.333   5.131 -13.454  1.00  0.00           O
ATOM   1057  CB  LEU A  37     -13.743   3.585 -11.785  1.00  0.00           C
ATOM   1058  CG  LEU A  37     -12.249   3.709 -12.119  1.00  0.00           C
ATOM   1059  CD1 LEU A  37     -11.726   5.098 -11.739  1.00  0.00           C
ATOM   1060  CD2 LEU A  37     -11.475   2.656 -11.330  1.00  0.00           C
ATOM      0  H   LEU A  37     -13.906   5.231  -9.920  1.00  0.00           H   new
ATOM      0  HA  LEU A  37     -13.955   5.517 -12.740  1.00  0.00           H   new
ATOM      0  HB2 LEU A  37     -13.864   3.241 -10.758  1.00  0.00           H   new
ATOM      0  HB3 LEU A  37     -14.203   2.835 -12.428  1.00  0.00           H   new
ATOM      0  HG  LEU A  37     -12.113   3.561 -13.190  1.00  0.00           H   new
ATOM      0 HD11 LEU A  37     -10.666   5.167 -11.983  1.00  0.00           H   new
ATOM      0 HD12 LEU A  37     -12.276   5.858 -12.294  1.00  0.00           H   new
ATOM      0 HD13 LEU A  37     -11.863   5.258 -10.670  1.00  0.00           H   new
ATOM      0 HD21 LEU A  37     -10.413   2.736 -11.561  1.00  0.00           H   new
ATOM      0 HD22 LEU A  37     -11.628   2.816 -10.263  1.00  0.00           H   new
ATOM      0 HD23 LEU A  37     -11.831   1.663 -11.602  1.00  0.00           H   new
ATOM   1072  N   HIS A  38     -16.673   3.969 -11.615  1.00  0.00           N
ATOM   1073  CA  HIS A  38     -18.097   3.693 -11.995  1.00  0.00           C
ATOM   1074  C   HIS A  38     -19.056   4.560 -11.151  1.00  0.00           C
ATOM   1075  O   HIS A  38     -20.255   4.355 -11.161  1.00  0.00           O
ATOM   1076  CB  HIS A  38     -18.406   2.209 -11.750  1.00  0.00           C
ATOM   1077  CG  HIS A  38     -17.513   1.344 -12.599  1.00  0.00           C
ATOM   1078  ND1 HIS A  38     -17.984   0.658 -13.707  1.00  0.00           N
ATOM   1079  CD2 HIS A  38     -16.178   1.032 -12.506  1.00  0.00           C
ATOM   1080  CE1 HIS A  38     -16.949  -0.026 -14.232  1.00  0.00           C
ATOM   1081  NE2 HIS A  38     -15.825   0.167 -13.538  1.00  0.00           N
ATOM      0  H   HIS A  38     -16.375   3.565 -10.727  1.00  0.00           H   new
ATOM      0  HA  HIS A  38     -18.237   3.935 -13.048  1.00  0.00           H   new
ATOM      0  HB2 HIS A  38     -18.262   1.969 -10.697  1.00  0.00           H   new
ATOM      0  HB3 HIS A  38     -19.451   2.004 -11.983  1.00  0.00           H   new
ATOM      0  HD2 HIS A  38     -15.505   1.402 -11.747  1.00  0.00           H   new
ATOM      0  HE1 HIS A  38     -17.020  -0.654 -15.108  1.00  0.00           H   new
ATOM      0  HE2 HIS A  38     -14.905  -0.233 -13.724  1.00  0.00           H   new
ATOM   1089  N   GLN A  39     -18.525   5.511 -10.411  1.00  0.00           N
ATOM   1090  CA  GLN A  39     -19.364   6.402  -9.535  1.00  0.00           C
ATOM   1091  C   GLN A  39     -20.316   5.564  -8.659  1.00  0.00           C
ATOM   1092  O   GLN A  39     -21.371   6.015  -8.252  1.00  0.00           O
ATOM   1093  CB  GLN A  39     -20.121   7.423 -10.408  1.00  0.00           C
ATOM   1094  CG  GLN A  39     -21.546   6.943 -10.721  1.00  0.00           C
ATOM   1095  CD  GLN A  39     -21.963   7.417 -12.116  1.00  0.00           C
ATOM   1096  OE1 GLN A  39     -21.733   8.551 -12.482  1.00  0.00           O
ATOM   1097  NE2 GLN A  39     -22.571   6.590 -12.916  1.00  0.00           N
ATOM      0  H   GLN A  39     -17.525   5.711 -10.377  1.00  0.00           H   new
ATOM      0  HA  GLN A  39     -18.718   6.957  -8.855  1.00  0.00           H   new
ATOM      0  HB2 GLN A  39     -20.163   8.383  -9.894  1.00  0.00           H   new
ATOM      0  HB3 GLN A  39     -19.576   7.583 -11.339  1.00  0.00           H   new
ATOM      0  HG2 GLN A  39     -21.592   5.855 -10.669  1.00  0.00           H   new
ATOM      0  HG3 GLN A  39     -22.241   7.328  -9.974  1.00  0.00           H   new
ATOM      0 HE21 GLN A  39     -22.766   5.636 -12.612  1.00  0.00           H   new
ATOM      0 HE22 GLN A  39     -22.853   6.896 -13.847  1.00  0.00           H   new
ATOM   1106  N   VAL A  40     -19.935   4.347  -8.356  1.00  0.00           N
ATOM   1107  CA  VAL A  40     -20.784   3.469  -7.513  1.00  0.00           C
ATOM   1108  C   VAL A  40     -19.949   2.847  -6.389  1.00  0.00           C
ATOM   1109  O   VAL A  40     -18.732   2.783  -6.455  1.00  0.00           O
ATOM   1110  CB  VAL A  40     -21.363   2.347  -8.373  1.00  0.00           C
ATOM   1111  CG1 VAL A  40     -22.475   2.894  -9.269  1.00  0.00           C
ATOM   1112  CG2 VAL A  40     -20.262   1.734  -9.241  1.00  0.00           C
ATOM      0  H   VAL A  40     -19.059   3.925  -8.664  1.00  0.00           H   new
ATOM      0  HA  VAL A  40     -21.587   4.066  -7.081  1.00  0.00           H   new
ATOM      0  HB  VAL A  40     -21.775   1.579  -7.718  1.00  0.00           H   new
ATOM      0 HG11 VAL A  40     -22.882   2.087  -9.878  1.00  0.00           H   new
ATOM      0 HG12 VAL A  40     -23.267   3.315  -8.650  1.00  0.00           H   new
ATOM      0 HG13 VAL A  40     -22.070   3.670  -9.918  1.00  0.00           H   new
ATOM      0 HG21 VAL A  40     -20.682   0.935  -9.851  1.00  0.00           H   new
ATOM      0 HG22 VAL A  40     -19.840   2.502  -9.889  1.00  0.00           H   new
ATOM      0 HG23 VAL A  40     -19.478   1.328  -8.602  1.00  0.00           H   new
ATOM   1122  N   ASN A  41     -20.607   2.375  -5.365  1.00  0.00           N
ATOM   1123  CA  ASN A  41     -19.889   1.738  -4.217  1.00  0.00           C
ATOM   1124  C   ASN A  41     -19.507   0.291  -4.570  1.00  0.00           C
ATOM   1125  O   ASN A  41     -20.045  -0.301  -5.490  1.00  0.00           O
ATOM   1126  CB  ASN A  41     -20.807   1.736  -2.987  1.00  0.00           C
ATOM   1127  CG  ASN A  41     -22.187   1.193  -3.371  1.00  0.00           C
ATOM   1128  OD1 ASN A  41     -23.043   1.937  -3.798  1.00  0.00           O
ATOM   1129  ND2 ASN A  41     -22.435  -0.080  -3.248  1.00  0.00           N
ATOM      0  H   ASN A  41     -21.622   2.403  -5.271  1.00  0.00           H   new
ATOM      0  HA  ASN A  41     -18.982   2.303  -4.003  1.00  0.00           H   new
ATOM      0  HB2 ASN A  41     -20.372   1.123  -2.198  1.00  0.00           H   new
ATOM      0  HB3 ASN A  41     -20.901   2.747  -2.590  1.00  0.00           H   new
ATOM      0 HD21 ASN A  41     -23.349  -0.449  -3.511  1.00  0.00           H   new
ATOM      0 HD22 ASN A  41     -21.715  -0.707  -2.889  1.00  0.00           H   new
ATOM   1136  N   ARG A  42     -18.587  -0.283  -3.838  1.00  0.00           N
ATOM   1137  CA  ARG A  42     -18.171  -1.692  -4.114  1.00  0.00           C
ATOM   1138  C   ARG A  42     -17.814  -2.402  -2.796  1.00  0.00           C
ATOM   1139  O   ARG A  42     -17.379  -1.770  -1.854  1.00  0.00           O
ATOM   1140  CB  ARG A  42     -16.957  -1.689  -5.048  1.00  0.00           C
ATOM   1141  CG  ARG A  42     -17.318  -2.405  -6.352  1.00  0.00           C
ATOM   1142  CD  ARG A  42     -16.192  -3.362  -6.743  1.00  0.00           C
ATOM   1143  NE  ARG A  42     -16.401  -3.808  -8.153  1.00  0.00           N
ATOM   1144  CZ  ARG A  42     -15.454  -4.411  -8.819  1.00  0.00           C
ATOM   1145  NH1 ARG A  42     -14.302  -4.659  -8.269  1.00  0.00           N
ATOM   1146  NH2 ARG A  42     -15.663  -4.762 -10.052  1.00  0.00           N
ATOM      0  H   ARG A  42     -18.104   0.164  -3.059  1.00  0.00           H   new
ATOM      0  HA  ARG A  42     -18.994  -2.225  -4.590  1.00  0.00           H   new
ATOM      0  HB2 ARG A  42     -16.647  -0.665  -5.256  1.00  0.00           H   new
ATOM      0  HB3 ARG A  42     -16.114  -2.186  -4.568  1.00  0.00           H   new
ATOM      0  HG2 ARG A  42     -18.250  -2.956  -6.230  1.00  0.00           H   new
ATOM      0  HG3 ARG A  42     -17.481  -1.676  -7.146  1.00  0.00           H   new
ATOM      0  HD2 ARG A  42     -15.226  -2.867  -6.644  1.00  0.00           H   new
ATOM      0  HD3 ARG A  42     -16.180  -4.222  -6.074  1.00  0.00           H   new
ATOM      0  HE  ARG A  42     -17.300  -3.638  -8.604  1.00  0.00           H   new
ATOM      0 HH11 ARG A  42     -14.128  -4.381  -7.303  1.00  0.00           H   new
ATOM      0 HH12 ARG A  42     -13.573  -5.131  -8.804  1.00  0.00           H   new
ATOM      0 HH21 ARG A  42     -16.562  -4.566 -10.493  1.00  0.00           H   new
ATOM      0 HH22 ARG A  42     -14.928  -5.234 -10.580  1.00  0.00           H   new
ATOM   1160  N   PRO A  43     -18.017  -3.701  -2.774  1.00  0.00           N
ATOM   1161  CA  PRO A  43     -17.730  -4.532  -1.582  1.00  0.00           C
ATOM   1162  C   PRO A  43     -16.248  -4.428  -1.180  1.00  0.00           C
ATOM   1163  O   PRO A  43     -15.372  -4.287  -2.017  1.00  0.00           O
ATOM   1164  CB  PRO A  43     -18.078  -5.966  -2.012  1.00  0.00           C
ATOM   1165  CG  PRO A  43     -18.586  -5.913  -3.476  1.00  0.00           C
ATOM   1166  CD  PRO A  43     -18.547  -4.446  -3.933  1.00  0.00           C
ATOM      0  HA  PRO A  43     -18.303  -4.211  -0.712  1.00  0.00           H   new
ATOM      0  HB2 PRO A  43     -17.203  -6.611  -1.935  1.00  0.00           H   new
ATOM      0  HB3 PRO A  43     -18.842  -6.386  -1.358  1.00  0.00           H   new
ATOM      0  HG2 PRO A  43     -17.960  -6.531  -4.120  1.00  0.00           H   new
ATOM      0  HG3 PRO A  43     -19.600  -6.307  -3.543  1.00  0.00           H   new
ATOM      0  HD2 PRO A  43     -17.909  -4.322  -4.808  1.00  0.00           H   new
ATOM      0  HD3 PRO A  43     -19.540  -4.092  -4.210  1.00  0.00           H   new
ATOM   1174  N   LEU A  44     -15.963  -4.503   0.100  1.00  0.00           N
ATOM   1175  CA  LEU A  44     -14.543  -4.407   0.570  1.00  0.00           C
ATOM   1176  C   LEU A  44     -13.843  -5.777   0.485  1.00  0.00           C
ATOM   1177  O   LEU A  44     -13.024  -6.116   1.318  1.00  0.00           O
ATOM   1178  CB  LEU A  44     -14.523  -3.894   2.017  1.00  0.00           C
ATOM   1179  CG  LEU A  44     -15.127  -4.939   2.962  1.00  0.00           C
ATOM   1180  CD1 LEU A  44     -14.091  -5.330   4.015  1.00  0.00           C
ATOM   1181  CD2 LEU A  44     -16.351  -4.345   3.658  1.00  0.00           C
ATOM      0  H   LEU A  44     -16.654  -4.627   0.840  1.00  0.00           H   new
ATOM      0  HA  LEU A  44     -14.004  -3.712  -0.074  1.00  0.00           H   new
ATOM      0  HB2 LEU A  44     -13.499  -3.672   2.317  1.00  0.00           H   new
ATOM      0  HB3 LEU A  44     -15.085  -2.963   2.087  1.00  0.00           H   new
ATOM      0  HG  LEU A  44     -15.420  -5.820   2.391  1.00  0.00           H   new
ATOM      0 HD11 LEU A  44     -14.519  -6.073   4.688  1.00  0.00           H   new
ATOM      0 HD12 LEU A  44     -13.213  -5.748   3.523  1.00  0.00           H   new
ATOM      0 HD13 LEU A  44     -13.801  -4.448   4.586  1.00  0.00           H   new
ATOM      0 HD21 LEU A  44     -16.782  -5.086   4.331  1.00  0.00           H   new
ATOM      0 HD22 LEU A  44     -16.054  -3.466   4.230  1.00  0.00           H   new
ATOM      0 HD23 LEU A  44     -17.091  -4.059   2.911  1.00  0.00           H   new
ATOM   1193  N   THR A  45     -14.134  -6.554  -0.533  1.00  0.00           N
ATOM   1194  CA  THR A  45     -13.467  -7.888  -0.681  1.00  0.00           C
ATOM   1195  C   THR A  45     -11.971  -7.705  -0.997  1.00  0.00           C
ATOM   1196  O   THR A  45     -11.214  -8.655  -1.010  1.00  0.00           O
ATOM   1197  CB  THR A  45     -14.137  -8.667  -1.822  1.00  0.00           C
ATOM   1198  OG1 THR A  45     -14.213  -7.843  -2.982  1.00  0.00           O
ATOM   1199  CG2 THR A  45     -15.549  -9.080  -1.403  1.00  0.00           C
ATOM      0  H   THR A  45     -14.804  -6.322  -1.267  1.00  0.00           H   new
ATOM      0  HA  THR A  45     -13.566  -8.440   0.254  1.00  0.00           H   new
ATOM      0  HB  THR A  45     -13.548  -9.557  -2.043  1.00  0.00           H   new
ATOM      0  HG1 THR A  45     -14.639  -8.342  -3.710  1.00  0.00           H   new
ATOM      0 HG21 THR A  45     -16.022  -9.633  -2.215  1.00  0.00           H   new
ATOM      0 HG22 THR A  45     -15.495  -9.712  -0.517  1.00  0.00           H   new
ATOM      0 HG23 THR A  45     -16.137  -8.190  -1.179  1.00  0.00           H   new
ATOM   1207  N   MET A  46     -11.541  -6.491  -1.255  1.00  0.00           N
ATOM   1208  CA  MET A  46     -10.100  -6.246  -1.571  1.00  0.00           C
ATOM   1209  C   MET A  46      -9.325  -5.883  -0.288  1.00  0.00           C
ATOM   1210  O   MET A  46      -8.114  -5.999  -0.236  1.00  0.00           O
ATOM   1211  CB  MET A  46      -9.987  -5.091  -2.574  1.00  0.00           C
ATOM   1212  CG  MET A  46     -10.995  -5.281  -3.713  1.00  0.00           C
ATOM   1213  SD  MET A  46     -10.198  -6.150  -5.086  1.00  0.00           S
ATOM   1214  CE  MET A  46     -10.074  -4.737  -6.208  1.00  0.00           C
ATOM      0  H   MET A  46     -12.130  -5.658  -1.260  1.00  0.00           H   new
ATOM      0  HA  MET A  46      -9.674  -7.153  -1.999  1.00  0.00           H   new
ATOM      0  HB2 MET A  46     -10.171  -4.142  -2.070  1.00  0.00           H   new
ATOM      0  HB3 MET A  46      -8.975  -5.047  -2.977  1.00  0.00           H   new
ATOM      0  HG2 MET A  46     -11.856  -5.849  -3.360  1.00  0.00           H   new
ATOM      0  HG3 MET A  46     -11.367  -4.313  -4.048  1.00  0.00           H   new
ATOM      0  HE1 MET A  46      -9.602  -5.052  -7.139  1.00  0.00           H   new
ATOM      0  HE2 MET A  46     -11.071  -4.352  -6.419  1.00  0.00           H   new
ATOM      0  HE3 MET A  46      -9.474  -3.955  -5.743  1.00  0.00           H   new
ATOM   1224  N   ARG A  47     -10.005  -5.444   0.746  1.00  0.00           N
ATOM   1225  CA  ARG A  47      -9.295  -5.080   2.012  1.00  0.00           C
ATOM   1226  C   ARG A  47      -8.693  -6.340   2.645  1.00  0.00           C
ATOM   1227  O   ARG A  47      -9.272  -7.406   2.593  1.00  0.00           O
ATOM   1228  CB  ARG A  47     -10.282  -4.428   2.987  1.00  0.00           C
ATOM   1229  CG  ARG A  47      -9.928  -2.947   3.162  1.00  0.00           C
ATOM   1230  CD  ARG A  47     -10.395  -2.159   1.934  1.00  0.00           C
ATOM   1231  NE  ARG A  47      -9.333  -2.196   0.880  1.00  0.00           N
ATOM   1232  CZ  ARG A  47      -9.598  -1.872  -0.360  1.00  0.00           C
ATOM   1233  NH1 ARG A  47     -10.798  -1.513  -0.717  1.00  0.00           N
ATOM   1234  NH2 ARG A  47      -8.651  -1.905  -1.246  1.00  0.00           N
ATOM      0  H   ARG A  47     -11.018  -5.323   0.767  1.00  0.00           H   new
ATOM      0  HA  ARG A  47      -8.495  -4.375   1.788  1.00  0.00           H   new
ATOM      0  HB2 ARG A  47     -11.300  -4.527   2.610  1.00  0.00           H   new
ATOM      0  HB3 ARG A  47     -10.247  -4.937   3.950  1.00  0.00           H   new
ATOM      0  HG2 ARG A  47     -10.402  -2.553   4.061  1.00  0.00           H   new
ATOM      0  HG3 ARG A  47      -8.852  -2.833   3.292  1.00  0.00           H   new
ATOM      0  HD2 ARG A  47     -11.321  -2.585   1.547  1.00  0.00           H   new
ATOM      0  HD3 ARG A  47     -10.610  -1.127   2.212  1.00  0.00           H   new
ATOM      0  HE  ARG A  47      -8.386  -2.479   1.133  1.00  0.00           H   new
ATOM      0 HH11 ARG A  47     -11.548  -1.481  -0.026  1.00  0.00           H   new
ATOM      0 HH12 ARG A  47     -10.988  -1.263  -1.688  1.00  0.00           H   new
ATOM      0 HH21 ARG A  47      -7.708  -2.182  -0.974  1.00  0.00           H   new
ATOM      0 HH22 ARG A  47      -8.850  -1.654  -2.214  1.00  0.00           H   new
ATOM   1248  N   LYS A  48      -7.526  -6.227   3.225  1.00  0.00           N
ATOM   1249  CA  LYS A  48      -6.875  -7.419   3.849  1.00  0.00           C
ATOM   1250  C   LYS A  48      -6.390  -7.058   5.267  1.00  0.00           C
ATOM   1251  O   LYS A  48      -6.911  -6.158   5.894  1.00  0.00           O
ATOM   1252  CB  LYS A  48      -5.688  -7.862   2.975  1.00  0.00           C
ATOM   1253  CG  LYS A  48      -6.012  -7.618   1.496  1.00  0.00           C
ATOM   1254  CD  LYS A  48      -5.309  -8.666   0.631  1.00  0.00           C
ATOM   1255  CE  LYS A  48      -5.652  -8.421  -0.840  1.00  0.00           C
ATOM   1256  NZ  LYS A  48      -5.688  -9.722  -1.572  1.00  0.00           N
ATOM      0  H   LYS A  48      -6.994  -5.359   3.294  1.00  0.00           H   new
ATOM      0  HA  LYS A  48      -7.591  -8.238   3.921  1.00  0.00           H   new
ATOM      0  HB2 LYS A  48      -4.791  -7.310   3.256  1.00  0.00           H   new
ATOM      0  HB3 LYS A  48      -5.477  -8.918   3.141  1.00  0.00           H   new
ATOM      0  HG2 LYS A  48      -7.089  -7.666   1.338  1.00  0.00           H   new
ATOM      0  HG3 LYS A  48      -5.691  -6.618   1.204  1.00  0.00           H   new
ATOM      0  HD2 LYS A  48      -4.230  -8.612   0.779  1.00  0.00           H   new
ATOM      0  HD3 LYS A  48      -5.621  -9.667   0.927  1.00  0.00           H   new
ATOM      0  HE2 LYS A  48      -6.617  -7.921  -0.920  1.00  0.00           H   new
ATOM      0  HE3 LYS A  48      -4.912  -7.760  -1.291  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  48      -5.921  -9.552  -2.571  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  48      -4.758 -10.183  -1.507  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  48      -6.410 -10.339  -1.148  1.00  0.00           H   new
ATOM   1270  N   ASP A  49      -5.402  -7.759   5.769  1.00  0.00           N
ATOM   1271  CA  ASP A  49      -4.877  -7.475   7.144  1.00  0.00           C
ATOM   1272  C   ASP A  49      -4.415  -6.010   7.257  1.00  0.00           C
ATOM   1273  O   ASP A  49      -5.151  -5.148   7.701  1.00  0.00           O
ATOM   1274  CB  ASP A  49      -3.699  -8.417   7.422  1.00  0.00           C
ATOM   1275  CG  ASP A  49      -4.223  -9.785   7.863  1.00  0.00           C
ATOM   1276  OD1 ASP A  49      -4.772 -10.485   7.029  1.00  0.00           O
ATOM   1277  OD2 ASP A  49      -4.061 -10.112   9.026  1.00  0.00           O
ATOM      0  H   ASP A  49      -4.932  -8.522   5.282  1.00  0.00           H   new
ATOM      0  HA  ASP A  49      -5.669  -7.638   7.875  1.00  0.00           H   new
ATOM      0  HB2 ASP A  49      -3.087  -8.523   6.526  1.00  0.00           H   new
ATOM      0  HB3 ASP A  49      -3.059  -7.995   8.197  1.00  0.00           H   new
ATOM   1282  N   GLY A  50      -3.200  -5.725   6.861  1.00  0.00           N
ATOM   1283  CA  GLY A  50      -2.687  -4.324   6.941  1.00  0.00           C
ATOM   1284  C   GLY A  50      -2.534  -3.761   5.528  1.00  0.00           C
ATOM   1285  O   GLY A  50      -2.650  -4.477   4.551  1.00  0.00           O
ATOM      0  H   GLY A  50      -2.539  -6.405   6.485  1.00  0.00           H   new
ATOM      0  HA2 GLY A  50      -3.374  -3.705   7.519  1.00  0.00           H   new
ATOM      0  HA3 GLY A  50      -1.728  -4.305   7.459  1.00  0.00           H   new
ATOM   1289  N   ILE A  51      -2.278  -2.483   5.407  1.00  0.00           N
ATOM   1290  CA  ILE A  51      -2.121  -1.871   4.053  1.00  0.00           C
ATOM   1291  C   ILE A  51      -1.089  -2.654   3.233  1.00  0.00           C
ATOM   1292  O   ILE A  51       0.013  -2.917   3.682  1.00  0.00           O
ATOM   1293  CB  ILE A  51      -1.652  -0.426   4.195  1.00  0.00           C
ATOM   1294  CG1 ILE A  51      -2.745   0.393   4.885  1.00  0.00           C
ATOM   1295  CG2 ILE A  51      -1.376   0.154   2.803  1.00  0.00           C
ATOM   1296  CD1 ILE A  51      -2.519   1.875   4.608  1.00  0.00           C
ATOM      0  H   ILE A  51      -2.171  -1.836   6.189  1.00  0.00           H   new
ATOM      0  HA  ILE A  51      -3.084  -1.900   3.542  1.00  0.00           H   new
ATOM      0  HB  ILE A  51      -0.740  -0.390   4.791  1.00  0.00           H   new
ATOM      0 HG12 ILE A  51      -3.727   0.089   4.521  1.00  0.00           H   new
ATOM      0 HG13 ILE A  51      -2.731   0.206   5.959  1.00  0.00           H   new
ATOM      0 HG21 ILE A  51      -1.041   1.187   2.899  1.00  0.00           H   new
ATOM      0 HG22 ILE A  51      -0.602  -0.435   2.310  1.00  0.00           H   new
ATOM      0 HG23 ILE A  51      -2.289   0.123   2.208  1.00  0.00           H   new
ATOM      0 HD11 ILE A  51      -3.297   2.460   5.099  1.00  0.00           H   new
ATOM      0 HD12 ILE A  51      -1.544   2.173   4.993  1.00  0.00           H   new
ATOM      0 HD13 ILE A  51      -2.554   2.054   3.533  1.00  0.00           H   new
ATOM   1308  N   GLN A  52      -1.441  -3.011   2.029  1.00  0.00           N
ATOM   1309  CA  GLN A  52      -0.490  -3.761   1.161  1.00  0.00           C
ATOM   1310  C   GLN A  52       0.593  -2.808   0.644  1.00  0.00           C
ATOM   1311  O   GLN A  52       0.465  -1.600   0.718  1.00  0.00           O
ATOM   1312  CB  GLN A  52      -1.247  -4.359  -0.027  1.00  0.00           C
ATOM   1313  CG  GLN A  52      -2.276  -5.383   0.472  1.00  0.00           C
ATOM   1314  CD  GLN A  52      -3.664  -4.739   0.530  1.00  0.00           C
ATOM   1315  OE1 GLN A  52      -4.332  -4.800   1.538  1.00  0.00           O
ATOM   1316  NE2 GLN A  52      -4.130  -4.121  -0.518  1.00  0.00           N
ATOM      0  H   GLN A  52      -2.349  -2.815   1.608  1.00  0.00           H   new
ATOM      0  HA  GLN A  52      -0.026  -4.560   1.739  1.00  0.00           H   new
ATOM      0  HB2 GLN A  52      -1.749  -3.568  -0.585  1.00  0.00           H   new
ATOM      0  HB3 GLN A  52      -0.547  -4.838  -0.712  1.00  0.00           H   new
ATOM      0  HG2 GLN A  52      -2.294  -6.247  -0.192  1.00  0.00           H   new
ATOM      0  HG3 GLN A  52      -1.992  -5.746   1.460  1.00  0.00           H   new
ATOM      0 HE21 GLN A  52      -3.570  -4.067  -1.369  1.00  0.00           H   new
ATOM      0 HE22 GLN A  52      -5.054  -3.691  -0.487  1.00  0.00           H   new
ATOM   1325  N   THR A  53       1.655  -3.345   0.112  1.00  0.00           N
ATOM   1326  CA  THR A  53       2.753  -2.481  -0.421  1.00  0.00           C
ATOM   1327  C   THR A  53       3.445  -3.201  -1.581  1.00  0.00           C
ATOM   1328  O   THR A  53       3.257  -4.387  -1.793  1.00  0.00           O
ATOM   1329  CB  THR A  53       3.766  -2.169   0.694  1.00  0.00           C
ATOM   1330  OG1 THR A  53       5.031  -1.856   0.123  1.00  0.00           O
ATOM   1331  CG2 THR A  53       3.917  -3.376   1.618  1.00  0.00           C
ATOM      0  H   THR A  53       1.813  -4.349   0.022  1.00  0.00           H   new
ATOM      0  HA  THR A  53       2.335  -1.541  -0.781  1.00  0.00           H   new
ATOM      0  HB  THR A  53       3.403  -1.317   1.269  1.00  0.00           H   new
ATOM      0  HG1 THR A  53       5.672  -1.656   0.837  1.00  0.00           H   new
ATOM      0 HG21 THR A  53       4.636  -3.145   2.404  1.00  0.00           H   new
ATOM      0 HG22 THR A  53       2.953  -3.613   2.067  1.00  0.00           H   new
ATOM      0 HG23 THR A  53       4.270  -4.232   1.043  1.00  0.00           H   new
ATOM   1339  N   ARG A  54       4.241  -2.491  -2.334  1.00  0.00           N
ATOM   1340  CA  ARG A  54       4.950  -3.120  -3.488  1.00  0.00           C
ATOM   1341  C   ARG A  54       6.278  -2.396  -3.737  1.00  0.00           C
ATOM   1342  O   ARG A  54       6.725  -1.598  -2.934  1.00  0.00           O
ATOM   1343  CB  ARG A  54       4.059  -3.023  -4.734  1.00  0.00           C
ATOM   1344  CG  ARG A  54       3.786  -4.428  -5.278  1.00  0.00           C
ATOM   1345  CD  ARG A  54       2.504  -4.416  -6.114  1.00  0.00           C
ATOM   1346  NE  ARG A  54       1.512  -5.389  -5.543  1.00  0.00           N
ATOM   1347  CZ  ARG A  54       1.828  -6.631  -5.279  1.00  0.00           C
ATOM   1348  NH1 ARG A  54       2.965  -7.138  -5.656  1.00  0.00           N
ATOM   1349  NH2 ARG A  54       0.966  -7.389  -4.676  1.00  0.00           N
ATOM      0  H   ARG A  54       4.432  -1.498  -2.200  1.00  0.00           H   new
ATOM      0  HA  ARG A  54       5.157  -4.167  -3.267  1.00  0.00           H   new
ATOM      0  HB2 ARG A  54       3.120  -2.529  -4.485  1.00  0.00           H   new
ATOM      0  HB3 ARG A  54       4.546  -2.415  -5.496  1.00  0.00           H   new
ATOM      0  HG2 ARG A  54       4.626  -4.762  -5.887  1.00  0.00           H   new
ATOM      0  HG3 ARG A  54       3.688  -5.135  -4.454  1.00  0.00           H   new
ATOM      0  HD2 ARG A  54       2.077  -3.413  -6.126  1.00  0.00           H   new
ATOM      0  HD3 ARG A  54       2.731  -4.679  -7.147  1.00  0.00           H   new
ATOM      0  HE  ARG A  54       0.561  -5.071  -5.355  1.00  0.00           H   new
ATOM      0 HH11 ARG A  54       3.634  -6.564  -6.170  1.00  0.00           H   new
ATOM      0 HH12 ARG A  54       3.188  -8.109  -5.438  1.00  0.00           H   new
ATOM      0 HH21 ARG A  54       0.054  -7.015  -4.413  1.00  0.00           H   new
ATOM      0 HH22 ARG A  54       1.200  -8.359  -4.464  1.00  0.00           H   new
ATOM   1363  N   ASN A  55       6.911  -2.660  -4.852  1.00  0.00           N
ATOM   1364  CA  ASN A  55       8.200  -1.973  -5.151  1.00  0.00           C
ATOM   1365  C   ASN A  55       7.906  -0.525  -5.559  1.00  0.00           C
ATOM   1366  O   ASN A  55       7.304  -0.265  -6.586  1.00  0.00           O
ATOM   1367  CB  ASN A  55       8.927  -2.701  -6.286  1.00  0.00           C
ATOM   1368  CG  ASN A  55      10.178  -3.386  -5.734  1.00  0.00           C
ATOM   1369  OD1 ASN A  55      11.269  -3.148  -6.204  1.00  0.00           O
ATOM   1370  ND2 ASN A  55      10.068  -4.231  -4.748  1.00  0.00           N
ATOM      0  H   ASN A  55       6.592  -3.318  -5.563  1.00  0.00           H   new
ATOM      0  HA  ASN A  55       8.838  -1.982  -4.267  1.00  0.00           H   new
ATOM      0  HB2 ASN A  55       8.266  -3.439  -6.741  1.00  0.00           H   new
ATOM      0  HB3 ASN A  55       9.202  -1.994  -7.069  1.00  0.00           H   new
ATOM      0 HD21 ASN A  55      10.899  -4.690  -4.374  1.00  0.00           H   new
ATOM      0 HD22 ASN A  55       9.151  -4.434  -4.350  1.00  0.00           H   new
ATOM   1377  N   ARG A  56       8.313   0.419  -4.748  1.00  0.00           N
ATOM   1378  CA  ARG A  56       8.052   1.856  -5.061  1.00  0.00           C
ATOM   1379  C   ARG A  56       8.521   2.175  -6.485  1.00  0.00           C
ATOM   1380  O   ARG A  56       9.440   1.571  -7.004  1.00  0.00           O
ATOM   1381  CB  ARG A  56       8.796   2.741  -4.043  1.00  0.00           C
ATOM   1382  CG  ARG A  56       9.403   3.968  -4.738  1.00  0.00           C
ATOM   1383  CD  ARG A  56       9.839   4.998  -3.694  1.00  0.00           C
ATOM   1384  NE  ARG A  56      10.764   4.352  -2.715  1.00  0.00           N
ATOM   1385  CZ  ARG A  56      11.464   5.066  -1.881  1.00  0.00           C
ATOM   1386  NH1 ARG A  56      11.387   6.365  -1.887  1.00  0.00           N
ATOM   1387  NH2 ARG A  56      12.256   4.473  -1.041  1.00  0.00           N
ATOM      0  H   ARG A  56       8.818   0.254  -3.877  1.00  0.00           H   new
ATOM      0  HA  ARG A  56       6.982   2.055  -4.996  1.00  0.00           H   new
ATOM      0  HB2 ARG A  56       8.108   3.062  -3.261  1.00  0.00           H   new
ATOM      0  HB3 ARG A  56       9.583   2.164  -3.558  1.00  0.00           H   new
ATOM      0  HG2 ARG A  56      10.258   3.667  -5.344  1.00  0.00           H   new
ATOM      0  HG3 ARG A  56       8.673   4.411  -5.415  1.00  0.00           H   new
ATOM      0  HD2 ARG A  56      10.336   5.837  -4.181  1.00  0.00           H   new
ATOM      0  HD3 ARG A  56       8.967   5.399  -3.177  1.00  0.00           H   new
ATOM      0  HE  ARG A  56      10.849   3.336  -2.700  1.00  0.00           H   new
ATOM      0 HH11 ARG A  56      10.772   6.836  -2.551  1.00  0.00           H   new
ATOM      0 HH12 ARG A  56      11.941   6.912  -1.228  1.00  0.00           H   new
ATOM      0 HH21 ARG A  56      12.326   3.455  -1.038  1.00  0.00           H   new
ATOM      0 HH22 ARG A  56      12.808   5.025  -0.384  1.00  0.00           H   new
ATOM   1401  N   LYS A  57       7.897   3.137  -7.110  1.00  0.00           N
ATOM   1402  CA  LYS A  57       8.299   3.522  -8.495  1.00  0.00           C
ATOM   1403  C   LYS A  57       9.539   4.419  -8.417  1.00  0.00           C
ATOM   1404  O   LYS A  57       9.615   5.315  -7.593  1.00  0.00           O
ATOM   1405  CB  LYS A  57       7.161   4.289  -9.202  1.00  0.00           C
ATOM   1406  CG  LYS A  57       5.851   4.175  -8.412  1.00  0.00           C
ATOM   1407  CD  LYS A  57       4.661   4.423  -9.341  1.00  0.00           C
ATOM   1408  CE  LYS A  57       3.809   5.573  -8.800  1.00  0.00           C
ATOM   1409  NZ  LYS A  57       3.922   6.746  -9.715  1.00  0.00           N
ATOM      0  H   LYS A  57       7.123   3.675  -6.720  1.00  0.00           H   new
ATOM      0  HA  LYS A  57       8.515   2.619  -9.066  1.00  0.00           H   new
ATOM      0  HB2 LYS A  57       7.436   5.338  -9.309  1.00  0.00           H   new
ATOM      0  HB3 LYS A  57       7.020   3.893 -10.207  1.00  0.00           H   new
ATOM      0  HG2 LYS A  57       5.772   3.185  -7.962  1.00  0.00           H   new
ATOM      0  HG3 LYS A  57       5.844   4.898  -7.596  1.00  0.00           H   new
ATOM      0  HD2 LYS A  57       5.015   4.662 -10.344  1.00  0.00           H   new
ATOM      0  HD3 LYS A  57       4.058   3.519  -9.423  1.00  0.00           H   new
ATOM      0  HE2 LYS A  57       2.768   5.261  -8.717  1.00  0.00           H   new
ATOM      0  HE3 LYS A  57       4.141   5.846  -7.798  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  57       3.343   7.529  -9.349  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  57       4.916   7.047  -9.772  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  57       3.586   6.481 -10.663  1.00  0.00           H   new